8PGL

Crystal structure of the metallo-beta-lactamase VIM1 with 3027

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-24
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.979499
Spacegroup name	P 1 21 1
Unit cell lengths	39.510, 68.060, 40.310
Unit cell angles	90.00, 93.83, 90.00

Refinement procedure

Resolution	34.630 - 1.200
R-factor	0.1308
Rwork	0.130
R-free	0.14280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.346
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.630	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.055	0.600
Rmeas	0.060	0.720
Rpim	0.023	0.388
Number of reflections	63365	2085
<I/σ(I)>	15.3	1.8
Completeness [%]	95.3	64.1
Redundancy	6.3	3.1
CC(1/2)	0.998	0.645

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	2.2M ammonium phosphate 0.1M TrisHCl, pH 8.5